Task 38686381

Name test_696-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6789_0
Workunit 31627815
Created 28 Oct 2026, 2:13:04 UTC
Sent 28 Oct 2026, 2:13:08 UTC
Report deadline 2 Nov 2026, 2:13:08 UTC
Received 28 Oct 2026, 2:37:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 23 min 51 sec
CPU time 20 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.79 MB
Peak swap size 13.05 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:14:20 (9832): wrapper (7.9.26016): starting
19:14:20 (9832): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
19:14:22 (9832): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:14:22 (9832): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
19:37:07 (9832): C:/Windows/system32/cmd.exe exited; CPU time 1218.515625
19:37:07 (9832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 18022855 bytes.
Dumping objects ->
{3835318} normal block at 0x0000022E075D4B40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000022E075D4C90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x0000022E075D4AD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x0000022E075D4D70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x0000022E075D4A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x0000022E09418A40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000022E0942E900, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835229} normal block at 0x0000022E075CEE50, 8 bytes long.
 Data: <  &#191; .   > 00 00 BF 07 2E 02 00 00 
{3834578} normal block at 0x0000022E0942EF30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022E075CF670, 8 bytes long.
 Data: <&#160;QJ	.   > A0 51 4A 09 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022E075D15F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022E075BEBC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000022E075D59A0, 16 bytes long.
 Data: <Hf] .           > 48 66 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022E075D54F0, 16 bytes long.
 Data: < f] .           > 20 66 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022E075CFBE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000022E075D5360, 16 bytes long.
 Data: <&#248;e] .           > F8 65 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022E075D62B0, 16 bytes long.
 Data: <&#208;e] .           > D0 65 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022E075D5950, 16 bytes long.
 Data: <&#168;e] .           > A8 65 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022E075D5F40, 16 bytes long.
 Data: < e] .           > 80 65 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022E075D4DE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000022E075D56D0, 16 bytes long.
 Data: <&#216;&#142;\ .           > D8 8E 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022E075D03C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000022E075D61C0, 16 bytes long.
 Data: <&#176;&#142;\ .           > B0 8E 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022E075D54A0, 16 bytes long.
 Data: < &#142;\ .           > 88 8E 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022E075D5680, 16 bytes long.
 Data: <`&#142;\ .           > 60 8E 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022E075D5DB0, 16 bytes long.
 Data: <8&#142;\ .           > 38 8E 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022E075D5C20, 16 bytes long.
 Data: < &#142;\ .           > 10 8E 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022E075D5450, 16 bytes long.
 Data: <&#232; \ .           > E8 8D 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022E075CF8E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000022E075D5630, 16 bytes long.
 Data: <&#192; \ .           > C0 8D 5C 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022E075C8DC0, 320 bytes long.
 Data: <0V] .   &#224;&#248;\ .   > 30 56 5D 07 2E 02 00 00 E0 F8 5C 07 2E 02 00 00 
{276} normal block at 0x0000022E075D5B80, 16 bytes long.
 Data: <`e] .           > 60 65 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022E075D5810, 16 bytes long.
 Data: <8e] .           > 38 65 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022E075CFD60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000022E075D5D60, 16 bytes long.
 Data: < e] .           > 10 65 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022E075D0120, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000022E075D53B0, 16 bytes long.
 Data: <Xd] .           > 58 64 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022E075D5400, 16 bytes long.
 Data: <0d] .           > 30 64 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022E075D55E0, 16 bytes long.
 Data: < d] .           > 08 64 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022E075D5B30, 16 bytes long.
 Data: <&#224;c] .           > E0 63 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022E075D57C0, 16 bytes long.
 Data: <&#184;c] .           > B8 63 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022E075D5770, 16 bytes long.
 Data: < c] .           > 90 63 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022E075D6260, 16 bytes long.
 Data: <&#192;G] .           > C0 47 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022E075D47C0, 40 bytes long.
 Data: <`b] .   @&#138;A	.   > 60 62 5D 07 2E 02 00 00 40 8A 41 09 2E 02 00 00 
{262} normal block at 0x0000022E075D5540, 16 bytes long.
 Data: <pc] .           > 70 63 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022E075D6120, 16 bytes long.
 Data: <Hc] .           > 48 63 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022E075CFE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000022E075D5900, 16 bytes long.
 Data: < c] .           > 20 63 5D 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022E075D6320, 992 bytes long.
 Data: < Y] .    &#254;\ .   > 00 59 5D 07 2E 02 00 00 80 FE 5C 07 2E 02 00 00 
{94} normal block at 0x0000022E075D0000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000022E075CE9F0, 16 bytes long.
 Data: <@&#255;[ .           > 40 FF 5B 07 2E 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022E075BFF40, 40 bytes long.
 Data: <&#240;&#233;\ .     ] .   > F0 E9 5C 07 2E 02 00 00 00 00 5D 07 2E 02 00 00 
{71} normal block at 0x0000022E075CEF40, 16 bytes long.
 Data: < &#234;&#235;&#207;&#247;           > 80 EA EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022E075CEB30, 16 bytes long.
 Data: <@&#233;&#235;&#207;&#247;           > 40 E9 EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022E075CF710, 16 bytes long.
 Data: <&#248;W&#232;&#207;&#247;           > F8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022E075CEBD0, 16 bytes long.
 Data: <&#216;W&#232;&#207;&#247;           > D8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022E075CEAE0, 16 bytes long.
 Data: <P &#232;&#207;&#247;           > 50 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022E075CE9A0, 16 bytes long.
 Data: <0 &#232;&#207;&#247;           > 30 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022E075CF620, 16 bytes long.
 Data: <&#224; &#232;&#207;&#247;           > E0 02 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022E075CEFE0, 16 bytes long.
 Data: <  &#232;&#207;&#247;           > 10 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022E075CEA40, 16 bytes long.
 Data: <p &#232;&#207;&#247;           > 70 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022E075CEF90, 16 bytes long.
 Data: < &#192;&#230;&#207;&#247;           > 18 C0 E6 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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